CdP2PbO7
Alexandria ALEXAlex-ID: agm021860740 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_218_spg14
CdP2PbO7
2024-09-13 12:50:42.230751
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021860740).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm021860740
data_agm021860740
_cell_length_a 8.73595
_cell_length_b 5.57302
_cell_length_c 14.38092
_cell_angle_alpha 67.07598
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 644.84847
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd1 Cd 0.64701 0.58195 0.09535 1.00000
Cd2 Cd 0.35299 0.41805 0.90465 1.00000
Cd3 Cd 0.85299 0.58195 0.59535 1.00000
Cd4 Cd 0.14701 0.41805 0.40465 1.00000
P1 P 0.21417 0.78341 0.52405 1.00000
P2 P 0.28583 0.78341 0.02405 1.00000
P3 P 0.78583 0.21659 0.47595 1.00000
P4 P 0.71417 0.21659 0.97595 1.00000
P5 P 0.46272 0.58734 0.67287 1.00000
P6 P 0.03728 0.58734 0.17287 1.00000
P7 P 0.53728 0.41266 0.32713 1.00000
P8 P 0.96272 0.41266 0.82713 1.00000
Pb1 Pb 0.68644 0.93056 0.76988 1.00000
Pb2 Pb 0.18644 0.06944 0.73012 1.00000
Pb3 Pb 0.31356 0.06944 0.23012 1.00000
Pb4 Pb 0.81356 0.93056 0.26988 1.00000
O1 O 0.43624 0.29141 0.71579 1.00000
O2 O 0.93624 0.70859 0.78421 1.00000
O3 O 0.56376 0.70859 0.28421 1.00000
O4 O 0.06376 0.29141 0.21579 1.00000
O5 O 0.63172 0.66467 0.65927 1.00000
O6 O 0.13172 0.33533 0.84073 1.00000
O7 O 0.36828 0.33533 0.34073 1.00000
O8 O 0.86828 0.66467 0.15927 1.00000
O9 O 0.38437 0.71795 0.73747 1.00000
O10 O 0.88437 0.28205 0.76253 1.00000
O11 O 0.61563 0.28205 0.26253 1.00000
O12 O 0.11563 0.71795 0.23747 1.00000
O13 O 0.11447 0.55143 0.59158 1.00000
O14 O 0.61447 0.44857 0.90842 1.00000
O15 O 0.88553 0.44857 0.40842 1.00000
O16 O 0.38553 0.55143 0.09158 1.00000
O17 O 0.28748 0.80454 0.91416 1.00000
O18 O 0.78748 0.19546 0.58584 1.00000
O19 O 0.71252 0.19546 0.08584 1.00000
O20 O 0.21252 0.80454 0.41416 1.00000
O21 O 0.10993 0.70913 0.06029 1.00000
O22 O 0.60993 0.29087 0.43971 1.00000
O23 O 0.89007 0.29087 0.93971 1.00000
O24 O 0.39007 0.70913 0.56029 1.00000
O25 O 0.32530 0.03749 0.03650 1.00000
O26 O 0.82530 0.96251 0.46350 1.00000
O27 O 0.67470 0.96251 0.96350 1.00000
O28 O 0.17470 0.03749 0.53650 1.00000
